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This chemical is called 2-Ethynylpiperidine, and it can also be named as Piperidine, 2-ethynyl-. With the molecular formula of C7H11N, its systematic name is 2-Ethynylpiperidine. The CAS registry number of this chemical is 959918-17-3.
Other characteristics of the 2-Ethynylpiperidine can be summarised as followings: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 33.84 cm3; (13)Molar Volume: 118.7 cm3; (14)Polarizability: 13.41×10-24 cm3; (15)Surface Tension: 33.8 dyne/cm; (16)Density: 0.91 g/cm3; (17)Flash Point: 32.9 °C; (18)Enthalpy of Vaporization: 38.09 kJ/mol; (19)Boiling Point: 143.8 °C at 760 mmHg; (20)Vapour Pressure: 5.25 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: C#CC1CCCCN1
2.InChI: InChI=1/C7H11N/c1-2-7-5-3-4-6-8-7/h1,7-8H,3-6H2
3.InChIKey: FOWKJWIPJPYKKW-UHFFFAOYAQ